@<TRIPOS>MOLECULE
DB04504
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.7875    -1.0665     0.8549	N.2	1	noname	-0.2852
2	C1    -0.6390    -1.5923    -0.3253	C.2	1	noname	-0.0116
3	C2    -0.9783     0.3051     1.1755	C.3	1	noname	0.0537
4	C3    -0.6516    -0.7972    -1.5740	C.3	1	noname	-0.0163
5	C4    -0.4611     1.2208     0.0268	C.3	1	noname	0.0241
6	C5    -1.0087     0.7050    -1.3337	C.3	1	noname	-0.0312
7	N2    -0.9222     2.5902     0.2501	N.3	1	noname	-0.3260
8	H1    -0.5070    -2.6728    -0.2692	H	1	noname	0.0786
9	H2    -2.0592     0.4274     1.2448	H	1	noname	0.0530
10	H3    -0.3531     0.4762     2.0518	H	1	noname	0.0530
11	H4     0.3751    -0.8273    -1.9386	H	1	noname	0.0326
12	H5    -1.4555    -1.2249    -2.1732	H	1	noname	0.0326
13	H6     0.6279     1.2653     0.0185	H	1	noname	0.0481
14	H7    -0.4873     1.2716    -2.1051	H	1	noname	0.0287
15	H8    -2.0952     0.7545    -1.2617	H	1	noname	0.0287
16	H9    -0.2525     3.3423     0.3272	H	1	noname	0.1187
17	H10    -1.9104     2.7840     0.3272	H	1	noname	0.1187
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	1
8	2	8	1
9	3	9	1
10	3	10	1
11	4	11	1
12	4	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	7	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1